5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline

C12H12FN3O — CID 113432123

IUPAC5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline
SMILESCCc1ccc(Oc2ncc(F)cn2)c(N)c1
InChIInChI=1S/C12H12FN3O/c1-2-8-3-4-11(10(14)5-8)17-12-15-6-9(13)7-16-12/h3-7H,2,14H2,1H3
InChIKeyXEJIZVSWMPBLPQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.55
Rot. Bonds3

About 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline

5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline (PubChem CID 113432123) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline
PubChem CID113432123
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline
SMILESCCc1ccc(Oc2ncc(F)cn2)c(N)c1
InChIInChI=1S/C12H12FN3O/c1-2-8-3-4-11(10(14)5-8)17-12-15-6-9(13)7-16-12/h3-7H,2,14H2,1H3
InChIKeyXEJIZVSWMPBLPQ-UHFFFAOYSA-N
XLogP2.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline?
The IUPAC name of 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline (CID 113432123) is 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline?
The canonical SMILES for 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline is CCc1ccc(Oc2ncc(F)cn2)c(N)c1.
What is the InChIKey of 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline?
The InChIKey is XEJIZVSWMPBLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-8-3-4-11(10(14)5-8)17-12-15-6-9(13)7-16-12/h3-7H,2,14H2,1H3.
What are the key properties of 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline?
5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline has a molecular weight of 233.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 113432123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).